1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one

C17H25FN2O — CID 120814958

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(N)C(C)(C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-16(2)11-20(10-9-14(16)19)15(21)17(3,4)12-5-7-13(18)8-6-12/h5-8,14H,9-11,19H2,1-4H3
InChIKeyMZHDIYBFRDUNLL-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.69
Rot. Bonds2

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 120814958) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID120814958
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(N)C(C)(C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-16(2)11-20(10-9-14(16)19)15(21)17(3,4)12-5-7-13(18)8-6-12/h5-8,14H,9-11,19H2,1-4H3
InChIKeyMZHDIYBFRDUNLL-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 119259477
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474
2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 92633437
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 119622987
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 120820413
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120816781
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 113197344

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one (CID 120814958) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCC(N)C(C)(C)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is MZHDIYBFRDUNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-16(2)11-20(10-9-14(16)19)15(21)17(3,4)12-5-7-13(18)8-6-12/h5-8,14H,9-11,19H2,1-4H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 292.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 120814958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).